1-[4-[6-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]butan-1-one Formula: C24H30ClN5O2S MolecularWeight: 488.0453

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C24H30ClN5O2S/c1-3-6-22(31)30-12-11-28(14-17(30)2)21-13-20(25)26-24(27-21)33-16-23(32)29-10-9-18-7-4-5-8-19(18)15-29/h4-5,7-8,13,17H,3,6,9-12,14-16H2,1-2H3